5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine

C12H8Br2N2O3 — CID 61229991

IUPAC5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
SMILESCc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C12H8Br2N2O3/c1-7-2-3-11(9(14)4-7)19-12-10(16(17)18)5-8(13)6-15-12/h2-6H,1H3
InChIKeyJFRBEEHEKUDVJA-UHFFFAOYSA-N
MW388.02 g/mol
LogP4.62
Rot. Bonds3

About 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine

5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine (PubChem CID 61229991) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
PubChem CID61229991
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
SMILESCc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C12H8Br2N2O3/c1-7-2-3-11(9(14)4-7)19-12-10(16(17)18)5-8(13)6-15-12/h2-6H,1H3
InChIKeyJFRBEEHEKUDVJA-UHFFFAOYSA-N
XLogP4.62
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.02
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103175419
2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
CID 107667629
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-(2-bromo-4-methylphenoxy)-2-nitroaniline
CID 106751987
5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
CID 61374554

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine (CID 61229991) is 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine is Cc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])c(Br)c1.
What is the InChIKey of 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine?
The InChIKey is JFRBEEHEKUDVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c1-7-2-3-11(9(14)4-7)19-12-10(16(17)18)5-8(13)6-15-12/h2-6H,1H3.
What are the key properties of 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine?
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine has a molecular weight of 388.02 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine is sourced from PubChem (CID 61229991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).